HRID2133289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

结构：Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(-c3ccccc3[N+](=O)[O-])nc2c1C#N

HCID77526487

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(-c3ccccc3N)nc2c1C#N

HCID77526392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b59f3c3e6cbe49e2ba5665a499da5f25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:38].[CH3:1][c:2]1[c:3](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:4]([N:22]2[CH2:23][CH:24]([N:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]2)[c:5]2[c:6]([n:7][c:8](-[c:10]3[c:11]([N+:16]([O-:17])=[O:18])[cH:12][cH:13][cH:14][cH:15]3)[o:9]2)[c:19]1[C:20]#[N:21].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[H:36][H:37].[Pd:39]>>[CH3:1][c:2]1[c:3](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:4]([N:22]2[CH2:23][CH:24]([N:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]2)[c:5]2[c:6]([n:7][c:8](-[c:10]3[c:11]([NH2:16])[cH:12][cH:13][cH:14][cH:15]3)[o:9]2)[c:19]1[C:20]#[N:21]